CO oxidation at the interface between doped CeO 2 and supported Au nanoclusters

Journal of Physical Chemistry Letters

Volumn 3, Issue 16, 2012, Pages 2194-2199

  Kim, Hyun You ^a   Henkelman, Graeme ^a  

^a UNIVERSITY OF TEXAS AT AUSTIN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AU CATALYSTS; AU NANOCLUSTERS; CHEMICAL COMPOSITIONS; CO OXIDATION; DESCRIPTORS; DOPANT SELECTION; DOPED CEO; ELECTRON DONATION; MARS-VAN KREVELEN; OXIDATION CATALYSIS; VACANCY FORMATION ENERGIES;

CHEMICAL MODIFICATION; DOPING (ADDITIVES); NANOCLUSTERS; OXIDATION; PALLADIUM; PLATINUM; ZIRCONIUM;

CERIUM;

EID: 84865085570     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz300631f     Document Type: Article

References (43)

1. Risse, T.; Shaikhutdinov, S.; Nilius, N.; Sterrer, M.; Freund, H. J. Gold Supported on Thin Oxide Films: From Single Atoms to Nanoparticles Acc. Chem. Res. 2008, 41, 949-956
2. Molina, L. M.; Hammer, B. Theoretical Study of CO Oxidation on Au Nanoparticles Supported by MgO(100) Phys. Rev. B 2004, 69, 155424
3. 8 Clusters on MgO Science 2005, 307, 403-407
4. Valden, M.; Lai, X.; Goodman, D. W. Onset of Catalytic Activity of Gold Clusters on Titania with the Appearance of Nonmetallic Properties Science 1998, 281, 1647
5. Chen, M. S.; Goodman, D. W. The Structure of Catalytically Active Gold on Titania Science 2004, 306, 252-255
6. 2 Catalyst Science 2011, 333, 736-739
7. Wang, H. F.; Gong, X. Q.; Guo, Y. L.; Guo, Y.; Lu, G. Z.; Hu, P. Structure and Catalytic Activity of Gold in Low-Temperature CO Oxidation J. Phys. Chem. C 2009, 113, 6124-6131
8. Zhang, C. J.; Michaelides, A.; Jenkins, S. J. Theory of Gold on Ceria Phys. Chem. Chem. Phys. 2010, 13, 22-33
9. + Adatoms J. Am. Chem. Soc. 2009, 131, 10473-10483
10. Remediakis, I. N.; Lopez, N.; Norskov, J. K. CO Oxidation on Rutile-Supported Au Nanoparticles Angew. Chem., Int. Ed. 2005, 44, 1824-1826
11. Hakkinen, H.; Abbet, W.; Sanchez, A.; Heiz, U.; Landman, U. Structural, Electronic, And Impurity-Doping Effects in Nanoscale Chemistry: Supported Gold Nanoclusters Angew. Chem., Int. Ed. 2003, 42, 1297-1306
12. Falsig, H.; Hvolbaek, B.; Kristensen, I. S.; Jiang, T.; Bligaard, T.; Christensen, C. H.; Norskov, J. K. Trends in the Catalytic CO Oxidation Activity of Nanoparticles Angew. Chem., Int. Ed. 2008, 47, 4835-4839
13. 2 Dissociation by Au Nanoparticles ChemPhysChem 2009, 10, 348-351
14. n (n=5-79) clusters Phys. Chem. Chem. Phys. 2010, 12, 10723-729
15. Jiang, T.; Mowbray, D. J.; Dobrin, S.; Falsig, H.; Hvolbk, B.; Bligaard, T.; Nørskov, J. K. Trends in CO Oxidation Rates for Metal Nanoparticles and Close-Packed, Stepped, and Kinked Surfaces J. Phys. Chem. C 2009, 113, 10548-10553
16. 35) for CO Oxidation ACS Nano 2011, 5, 7818-7829
17. 12 with High Catalytic Activity Nano Lett. 2010, 10, 1055-1062
18. x Nanoparticles Grown on Au(111) in the Water-Gas Shift Reaction Science 2007, 318, 1757-1760
19. 2-Supported Au Nanoparticles J. Am. Chem. Soc. 2012, 134, 1560-1570
20. Neyman, K. M.; Vayssilov, G. N.; Lykhach, Y.; Migani, A.; Staudt, T.; Petrova, G. P.; Tsud, N.; Skala, T.; Bruix, A.; Illas, F.; Prince, K. C.; Matolin, V.; Libuda, J. Support Nanostructure Boosts Oxygen Transfer to Catalytically Active Platinum Nanoparticles Nat. Mater. 2011, 10, 310-315
21. 2(110) Doped with V, W, Cr, Mo, and Mn J. Phys. Chem. C 2008, 112, 12398-12408
22. Hu, Z. P.; Metiu, H. Effect of Dopants on the Energy of Oxygen-Vacancy Formation at the Surface of Ceria: Local or Global? J. Phys. Chem. C 2011, 115, 17898-17909
23. Nolan, M.; Verdugo, V. S.; Metiu, H. Vacancy Formation and CO Adsorption on Gold-Doped Ceria Surfaces Surf. Sci. 2008, 602, 2734-2742
24. 2 J. Catal. 2007, 245, 205-214
25. 2 Methanation on Ru-Doped Ceria J. Catal. 2011, 278, 297-309
26. 2 J. Catal. 2010, 273, 125-137
27. Nolan, M. Molecular Adsorption on the Doped (110) Ceria Surface J. Phys. Chem. C 2009, 113, 2425-2432
28. Nolan, M. Enhanced Oxygen Vacancy Formation in Ceria (111) and (110) Surfaces Doped with Divalent Cations J. Mater. Chem. 2011, 21, 9160-9168
29. 13 J. Am. Chem. Soc. 2007, 129, 10978-10979
30. Xu, H.; Menard, L.; Frenkel, A.; Nuzzo, R.; Johnson, D.; Yang, J. In Materials Research Society Symposium Proceedings; Materials Research Society: Warrendale, PA, 2005; Vol. 876E, p R9.4/P6.4.
31. Kresse, G.; Furthmuller, J. Efficient Iterative Schemes for Ab Initio Total-Energy Calculations Using a Plane-Wave Basis Set Phys. Rev. B 1996, 54, 11169-11186
32. Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple Phys. Rev. Lett. 1996, 77, 3865-3868
33. Dudarev, S. L.; Botton, G. A.; Savrasov, S. Y.; Humphreys, C. J.; Sutton, A. P. Electron-Energy-Loss Spectra and the Structural Stability of Nickel Oxide: An LSDA+U Study Phys. Rev. B 1998, 57, 1505-1509
34. Blochl, P. E. Projector Augmented-Wave Method Phys. Rev. B 1994, 50, 17953-17979
35. Henkelman, G.; Jonsson, H. Improved Tangent Estimate in the Nudged Elastic Band Method for Finding Minimum Energy Paths and Saddle Points J. Chem. Phys. 2000, 113, 9978-9985
36. Henkelman, G.; Uberuaga, B. P.; Jonsson, H. A Climbing Image Nudged Elastic Band Method for Finding Saddle Points and Minimum Energy Paths J. Chem. Phys. 2000, 113, 9901-9904
37. Hu, Z.; Li, B.; Sun, X.; Metiu, H. Chemistry of Doped Oxides: The Activation of Surface Oxygen and the Chemical Compensation Effect J. Phys. Chem. C 2011, 115, 3065-3074
38. 2 Chem. Mater. 2006, 18, 3249-3256
39. 2 from First Principles Calculation Chem. Mater. 2010, 22, 5184-5198
40. Pala, R. G. S.; Metiu, H. Modification of the Oxidative Power of ZnO(1010) Surface by Substituting Some Surface Zn Atoms with Other Metals J. Phys. Chem. C 2007, 111, 8617-8622
41. Atkins, P.; Paula, J. D. Physical Chemistry, 8 th ed.; Oxford: New York, 2006.
42. Metiu, H. Physical Chemistry: Statistical Mechanics, 1 st ed.; Tayler & Francis: New York, 2006.
43. 2(110) Surface: The Key Role of Dopant Ionic Radius J. Phys. Chem. C 2011, 115, 6671-6681